MFMPI

Prompt

4.2.1.117

Lyases. Carbon-oxygen lyases. Hydro-lyases. 2-methylcitrate dehydratase (2-methyl-trans-aconitate forming).

AI Generated Sequence

298 AAs
MSTVNGLRPDPDDVLIDIARYVLNYDIPSKVAYDTARYCLLDTLGCGLEALEYPACTKLLGPIVPGTVVPNGARVPGTQFQLDPVQAAFNIGCMIRWLDFNDTWLAAEWGHPSDNLGAILAVADWISRENAKNGKKALTMKDVLEAMIKAHEIQGCIALENSFNKVGLDHVLLVKVASTAVVAEMLGLTREQILNAVSLAWVDGQSLRTYRHAPNAGPRKSWAAGDATSRRVHLALMAKTGEMGYPESLTAPTWGFYDVMFKGESFKFQRPYGSYVMENVLFKISFPAEFHSQTACEA

Ligand/Cofactor

2-methylcitrate

CC(C(=O)O)C(CC(=O)O)(C(=O)O)O

Validation Metrics

PLDDT87.2
NLMSIM95.0
AACOMP96.0
Seqdif (SeqID)14.2 (MCJ8644224.1)
Structdif (F-Target)11.4 (5mvi B)

ProtNLM

NameScore
2-methylcitrate dehydratase0.468
4.2.1.790.467
Bifunctional 2-methylcitrate dehydratase/aconitate hydratase0.049
MmgE/PrpD family protein0.002
Aconitate hydratase0.001
Bifunctional 2-methylcitrate synthase/citrate dehydratase0.001
Designed by MP, using an AMD MI250 GPU